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- 1): 1618(s), 1513(s), 1318(m), 1295(m), 1252(m), 1112(m), 1090(m), 1077(s), 1015(m), 945(m), 863(w), 815(w), 776(m), 761(m), 677(w), 647(m). The phase purities of bulky samples 1 and 2 are also confirmed by powder X-ray diffraction analysis, in which the experimental PXRD pattern is in good consistent with the one obtained from the stimulated PXRD based on the single crystal sample at room temperature (Fig. S4).
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2 = 0.1179 [I>2σ(I)]. Structural data for 1 and 2 were collected on a Bruker Smart Apex CCD with graphite-monochromated Mo-Kα radiation (λ = 0.71073 Å) at 293 K. Their structures were solved by direct methods and refined with the full-matrix least-squares technique using the SHELXS-97 and SHELXL-97 programs [10]. Selected bond lengths and angles with their estimated standard deviations of 1 and 2 are listed in Table S1.
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